CTK0H7957

[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 2-methylbut-2-enoate

Also Known As: 2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aR,9bS)-2,3,3a,4,5,7,9a,9b-octahydro-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)-

Molecular Formula	C20H22O7
Molecular Weight	374.13657 g/mol
LogP	0.91
Topological Polar Surface Area	110.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	374.13657
Heavy Atoms	27
Complexity	859.6

Chemical Identifiers

CAS Number	1405-19-2
SMILES	CC=C(C)C(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@]3(C(=CC(=O)C3=C1C)C)O)OC(=O)C2=C)O